(Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine

C11H17NO — CID 5372406

IUPAC(Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine
SMILESC=C(C)C1CC=C(C)/C(=N\OC)C1
InChIInChI=1S/C11H17NO/c1-8(2)10-6-5-9(3)11(7-10)12-13-4/h5,10H,1,6-7H2,2-4H3/b12-11-
InChIKeyRFVBREOOHOLCLZ-QXMHVHEDSA-N
MW179.26 g/mol
LogP2.92
Rot. Bonds2

About (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine

(Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine (PubChem CID 5372406) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine
PubChem CID5372406
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine
SMILESC=C(C)C1CC=C(C)/C(=N\OC)C1
InChIInChI=1S/C11H17NO/c1-8(2)10-6-5-9(3)11(7-10)12-13-4/h5,10H,1,6-7H2,2-4H3/b12-11-
InChIKeyRFVBREOOHOLCLZ-QXMHVHEDSA-N
XLogP2.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine?
The IUPAC name of (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine (CID 5372406) is (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine.
What is the SMILES notation for (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine?
The canonical SMILES for (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine is C=C(C)C1CC=C(C)/C(=N\OC)C1.
What is the InChIKey of (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine?
The InChIKey is RFVBREOOHOLCLZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)10-6-5-9(3)11(7-10)12-13-4/h5,10H,1,6-7H2,2-4H3/b12-11-.
What are the key properties of (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine?
(Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine has a molecular weight of 179.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine is sourced from PubChem (CID 5372406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).